4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol

C13H24N4O — CID 155953910

IUPAC4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol
SMILESCc1cn[nH]c1CN1CCC(O)(CN(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-11-8-14-15-12(11)9-17-6-4-13(18,5-7-17)10-16(2)3/h8,18H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyAOIGOFSPRPZGCA-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds4

About 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol

4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol (PubChem CID 155953910) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol
PubChem CID155953910
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol
SMILESCc1cn[nH]c1CN1CCC(O)(CN(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-11-8-14-15-12(11)9-17-6-4-13(18,5-7-17)10-16(2)3/h8,18H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyAOIGOFSPRPZGCA-UHFFFAOYSA-N
XLogP0.61
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol (CID 155953910) is 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol is Cc1cn[nH]c1CN1CCC(O)(CN(C)C)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is AOIGOFSPRPZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-8-14-15-12(11)9-17-6-4-13(18,5-7-17)10-16(2)3/h8,18H,4-7,9-10H2,1-3H3,(H,14,15).
What are the key properties of 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol?
4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 155953910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).